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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Dl-carnitine hydrochloride, 461-05-2, 16224-32-1, D,l-carnitine hydrochloride, (r)-carnitine (hydrochloride), (s)-carnitine (hydrochloride)

Molecular Formula

C₇H₁₆ClNO₃

Molecular Weight

197.66 g/mol

InChI Key

JXXCENBLGFBQJM-UHFFFAOYSA-N

1 2D Structure

Dl-Carnitine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-hydroxy-4-(trimethylazaniumyl)butanoate;hydrochloride

2.1.2 InChI

InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H

2.1.3 InChI Key

JXXCENBLGFBQJM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C[N+](C)(C)CC(CC(=O)[O-])O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Dl-carnitine Hydrochloride

2. 461-05-2

3. 16224-32-1

4. D,l-carnitine Hydrochloride

5. (r)-carnitine (hydrochloride)

6. (s)-carnitine (hydrochloride)

7. 3-hydroxy-4-(trimethylammonio)butanoate Hydrochloride

8. D-carnitine Hydrochloride

9. Dsstox_cid_25850

10. Dsstox_rid_81172

11. Dsstox_gsid_45850

12. D-carnitine (hydrochloride)

13. L-carnitine (hydrochloride)

14. Cas-461-05-2

15. 1-propanaminium, 3-carboxy-2-hydroxy-n,n,n-trimethyl-, Chloride

16. L-carnitine Chloride

17. Ncgc00094816-01

18. 3-carboxy-2-hydroxy-n,n,n-trimethylpropan-1-aminium Chloride

19. L-carnitin 100 Microg/ml In Acetonitrile

20. D,l-carnitine-[d3] Chloride

21. Dtxsid8045850

22. Dl-carnitine Benzyl Ester Chloride

23. Tox21_111339

24. Ac8488

25. Akos015899583

26. Tox21_111339_1

27. Ccg-208519

28. Ncgc00263894-02

29. As-11627

30. Db-043518

31. C-1990

32. A826989

33. 3-hydroxy-4-(trimethylazaniumyl)butanoate;hydrochloride

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₆ClNO₃
Molecular Weight	197.66 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	197.0818711 g/mol
Monoisotopic Mass	197.0818711 g/mol
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2